Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 5 results

Search term: KTDBZKCJNMZVEU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2369907

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H27N5O4/c1-30-18-5-4-16(14-19(18)31-2)6-9-27-20(28)15-17(21(27)29)25-10-12-26(13-11-25)22-23-7-3-8-24-22/h3-5,7-8,14,17H,6,9-13,15H2,1-2H3
C22H27N5O4425.48088191300
930145

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H27N5O4/c1-30-18-5-4-16(14-19(18)31-2)6-9-27-20(28)15-17(21(27)29)25-10-12-26(13-11-25)22-23-7-3-8-24-22/h3-5,7-8,14,17H,6,9-13,15H2,1-2H3/t17-/m1/s1
C22H27N5O4425.48092100
930146

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H27N5O4/c1-30-18-5-4-16(14-19(18)31-2)6-9-27-20(28)15-17(21(27)29)25-10-12-26(13-11-25)22-23-7-3-8-24-22/h3-5,7-8,14,17H,6,9-13,15H2,1-2H3/t17-/m0/s1
C22H27N5O4425.48092100
5336790

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H27N5O4/c1-30-18-5-4-16(14-19(18)31-2)6-9-27-20(28)15-17(21(27)29)25-10-12-26(13-11-25)22-23-7-3-8-24-22/h3-5,7-8,14,17H,6,9-13,15H2,1-2H3/p+1/t17-/m1/s1
C22H28N5O4426.48831100
5336791

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H27N5O4/c1-30-18-5-4-16(14-19(18)31-2)6-9-27-20(28)15-17(21(27)29)25-10-12-26(13-11-25)22-23-7-3-8-24-22/h3-5,7-8,14,17H,6,9-13,15H2,1-2H3/p+1/t17-/m0/s1
C22H28N5O4426.48831100

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